When solving practical classification problems, a practitioner may be faced with class imbalance, meaning that one class has a significantly higher prevalence than the others (also called the majority class). Examples of imbalanced classification problems in the literature include [1], [2], [3], [4]. Class imbalance problems may be exacerbated in the future as we discover new methods to collect rare data and rate of data collection increases. In many class imbalance problems, the minority class is not only the interest, but also carries the higher misclassification cost, which complicates learning [5]. Machine learning classifiers try to find an optimal decision boundary that fits training data. As classifiers generally seek to find the simplest rule that partitions the training data, the simplest rule in imbalanced settings is often always predicting the majority class [6]. Results can be deceptive for such classifiers, as they may achieve high accuracy. For example, in a problem where a minority class occurs 0.1% of the time, an uninformed classifier can achieve 99.9% accuracy by simply always predicting observations as the majority. Thus, the naturally occurring target class distribution is not optimal for learning in highly imbalanced scenarios [7], [8], [9], [10].

The problem of class imbalance along with class-overlapping has become a major issue in the domain of supervised learning. Most supervised learning algorithms assume equal cardinality of the classes under consideration while optimizing the cost function and this assumption does not hold true for imbalanced datasets which results in sub-optimal classification. Therefore, various approaches, such as undersampling, oversampling, cost-sensitive learning and ensemble based methods have been proposed for dealing with imbalanced datasets. However, undersampling suffers from information loss, oversampling suffers from increased runtime and potential overfitting while cost-sensitive methods suffer due to inadequately defined cost assignment schemes. In this paper, we propose a novel boosting based method called LIUBoost. LIUBoost uses under sampling for balancing the datasets in every boosting iteration like RUSBoost while incorporating a cost term for every instance based on their hardness into the weight update formula minimizing the information loss introduced by undersampling. LIUBoost has been extensively evaluated on 18 imbalanced datasets and the results indicate significant improvement over existing best performing method RUSBoost.

Motivation: A major challenge in the development of machine learning based methods in computational biology is that data may not be accurately labeled due to the time and resources required for experimentally annotating properties of proteins and DNA sequences. Standard supervised learning algorithms assume accurate instance-level labeling of training data. Multiple instance learning is a paradigm for handling such labeling ambiguities. However, the widely used large-margin classification methods for multiple instance learning are heuristic in nature with high computational requirements. In this paper, we present stochastic sub-gradient optimization large margin algorithms for multiple instance classification and ranking, and provide them in a software suite called pyLEMMINGS. Results: We have tested pyLEMMINGS on a number of bioinformatics problems as well as benchmark datasets. pyLEMMINGS has successfully been able to identify functionally important segments of proteins: binding sites in Calmodulin binding proteins, prion forming regions, and amyloid cores. pyLEMMINGS achieves state-of-the-art performance in all these tasks, demonstrating the value of multiple instance learning. Furthermore, our method has shown more than 100-fold improvement in terms of running time as compared to heuristic solutions with improved accuracy over benchmark datasets. Availability and Implementation: pyLEMMINGS python package is available for download at: http://faculty.pieas.edu.pk/fayyaz/software.html#pylemmings.

Excellent ranking power along with well calibrated probability estimates are needed in many classification tasks. In this paper, we introduce a technique, Calibrated Boosting-Forest that captures both. This novel technique is an ensemble of gradient boosting machines that can support both continuous and binary labels. While offering superior ranking power over any individual regression or classification model, Calibrated Boosting-Forest is able to preserve well calibrated posterior probabilities. Along with these benefits, we provide an alternative to the tedious step of tuning gradient boosting machines. We demonstrate that tuning Calibrated Boosting-Forest can be reduced to a simple hyper-parameter selection. We further establish that increasing this hyper-parameter improves the ranking performance under a diminishing return. We examine the effectiveness of Calibrated Boosting-Forest on ligand-based virtual screening where both continuous and binary labels are available and compare the performance of Calibrated Boosting-Forest with logistic regression, gradient boosting machine and deep learning. Calibrated Boosting-Forest achieved an approximately 48% improvement compared to a state-of-art deep learning model. Moreover, it achieved around 95% improvement on probability quality measurement compared to the best individual gradient boosting machine. Calibrated Boosting-Forest offers a benchmark demonstration that in the field of ligand-based virtual screening, deep learning is not the universally dominant machine learning model and good calibrated probabilities can better facilitate virtual screening process.

The two-sample hypothesis testing problem is studied for the challenging scenario of high dimensional data sets with small sample sizes. We show that the two-sample hypothesis testing problem can be posed as a one-class set classification problem. In the set classification problem the goal is to classify a set of data points that are assumed to have a common class. We prove that the average probability of error given a set is less than or equal to the Bayes error and decreases as a power of $n$ number of sample data points in the set. We use the positive definite Set Kernel for directly mapping sets of data to an associated Reproducing Kernel Hilbert Space, without the need to learn a probability distribution. We specifically solve the two-sample hypothesis testing problem using a one-class SVM in conjunction with the proposed Set Kernel. We compare the proposed method with the Maximum Mean Discrepancy, F-Test and T-Test methods on a number of challenging simulated high dimensional and small sample size data. We also perform two-sample hypothesis testing experiments on six cancer gene expression data sets and achieve zero type-I and type-II error results on all data sets.

Discovering a correlation from one variable to another variable is of fundamental scientific and practical interest. While existing correlation measures are suitable for discovering average correlation, they fail to discover hidden or potential correlations. To bridge this gap, (i) we postulate a set of natural axioms that we expect a measure of potential correlation to satisfy; (ii) we show that the rate of information bottleneck, i.e., the hypercontractivity coefficient, satisfies all the proposed axioms; (iii) we provide a novel estimator to estimate the hypercontractivity coefficient from samples; and (iv) we provide numerical experiments demonstrating that this proposed estimator discovers potential correlations among various indicators of WHO datasets, is robust in discovering gene interactions from gene expression time series data, and is statistically more powerful than the estimators for other correlation measures in binary hypothesis testing of canonical examples of potential correlations.

While linear mixed model (LMM) has shown a competitive performance in correcting spurious associations raised by population stratification, family structures, and cryptic relatedness, more challenges are still to be addressed regarding the complex structure of genotypic and phenotypic data. For example, geneticists have discovered that some clusters of phenotypes are more co-expressed than others. Hence, a joint analysis that can utilize such relatedness information in a heterogeneous data set is crucial for genetic modeling. We proposed the sparse graph-structured linear mixed model (sGLMM) that can incorporate the relatedness information from traits in a dataset with confounding correction. Our method is capable of uncovering the genetic associations of a large number of phenotypes together while considering the relatedness of these phenotypes. Through extensive simulation experiments, we show that the proposed model outperforms other existing approaches and can model correlation from both population structure and shared signals. Further, we validate the effectiveness of sGLMM in the real-world genomic dataset on two different species from plants and humans. In Arabidopsis thaliana data, sGLMM behaves better than all other baseline models for 63.4% traits. We also discuss the potential causal genetic variation of Human Alzheimer's disease discovered by our model and justify some of the most important genetic loci.

Many efforts have been made to use various forms of domain knowledge in malware detection. Currently there exist two common approaches to malware detection without domain knowledge, namely byte n-grams and strings. In this work we explore the feasibility of applying neural networks to malware detection and feature learning. We do this by restricting ourselves to a minimal amount of domain knowledge in order to extract a portion of the Portable Executable (PE) header. By doing this we show that neural networks can learn from raw bytes without explicit feature construction, and perform even better than a domain knowledge approach that parses the PE header into explicit features.

Depending on the algorithm/model that generates this dataset metrics present in the dataset will vary. Here is a list of metrics based on the model: Linear Regression, CART numeric, Elastic Net Linear: R-Square, R-Square Adjusted, Mean Absolute Error(MAE), Mean Squared Error(MSE), Relative Absolute Error(RAE), Related Squared Error(RSE), Root Mean Squared Error(RMSE) CART(Classification And Regression Trees), Naive Bayes Classification, Neural Network, Support Vector Machine(SVM), Random Forest, Logistic Regression: Now you know what the Related datasets are and how they can be useful for fine tuning your Machine Learning model or for comparing two different models. .

Predictive Modeling works on constructive feedback principle. Get feedback from metrics, make improvements and continue until you achieve a desirable accuracy. Evaluation metrics explain the performance of a model. An important aspects of evaluation metrics is their capability to discriminate among model results. Once they are finished building a model, they hurriedly map predicted values on unseen data. This is an incorrect approach. Simply, building a predictive model is not your motive. But, creating and selecting a model which gives high accuracy on out of sample data.